SCHEMBL28985472

SCHEMBL28985472

CCON(OCCCCO)c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2572316 0.88 ALDH1A1 (0.37) RAB9APOLBTRPM8ALDH1A1TSHR
SCHEMBL7047179 0.82 TSHR (0.44) RAB9APOLBMEN1KMT2AALDH1A1
SCHEMBL80211 0.81 ALDH1A1 (0.39) RAB9APOLBALDH1A1TSHR
SCHEMBL6341579 0.75 ALDH1A1 (0.41) RAB9APOLBALDH1A1TSHR
SCHEMBL14173679 0.73 DRD2 (0.47) MEN1KMT2AALDH1A1TSHR
SCHEMBL2866524 0.73 ALDH1A1 (0.42) RAB9APOLBALDH1A1TSHR
SCHEMBL28985474 0.72 POLB (0.32) RAB9APOLBMEN1KMT2A
SCHEMBL27940326 0.71 ALDH1A1 (0.41) RAB9AMEN1KMT2AALDH1A1
SCHEMBL2575461 0.70 ALDH1A1 (0.39) RAB9APOLBMEN1KMT2AALDH1A1
SCHEMBL14173710 0.69 RARB (0.46) MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115989215-A Liquid mixtures of propoxylated p-toluidine 赛拓有限责任公司 2023-04-18 CN disclosed